General Information of the Compound
| Compound ID |
CP0851347
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| Compound Name |
N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-1,1,1-trifluoromethanesulfonamide
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| Structure |
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| Formula |
C19H25F3N4O4S
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| Molecular Weight |
462.494
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| Canonical SMILES |
N#Cc1ccc(OCCCN2CC3CN(CCNS(=O)(=O)C(F)(F)F)CC(C2)O3)cc1
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| InChI |
InChI=1S/C19H25F3N4O4S/c20-19(21,22)31(27,28)24-6-8-26-13-17-11-25(12-18(14-26)30-17)7-1-9-29-16-4-2-15(10-23)3-5-16/h2-5,17-18,24H,1,6-9,11-14H2
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| InChIKey |
MJAFQRMQGNRMGJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound